S-(4,5-diphenyl-1H-imidazol-2-yl) 4-[(heptylamino)methyl]benzenecarbothioate

Systemtic Name: S-(4,5-diphenyl-1H-imidazol-2-yl) 4-[(heptylamino)methyl]benzenecarbothioate Openeye Name: S-(4,5-diphenyl-1H-imidazol-2-yl) 4-[(heptylamino)methyl]benzenecarbothioate CAS Name: 4-[(heptylamino)methyl]benzenecarbothioic acid S-(4,5-diphenyl-1H-imidazol-2-yl) ester IUPAC Name: S-(4,5-diphenyl-1H-imidazol-2-yl) 4-[(heptylamino)methyl]benzenecarbothioate Traditional Name: 4-[(heptylamino)methyl]thiobenzoic acid S-(4,5-diphenyl-1H-imidazol-2-yl) ester Formula: C30H33N3OS MolecularWeight: 483.66752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC=C(C=C1)C(=O)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCNCC1=CC=C(C=C1)C(=O)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H33N3OS/c1-2-3-4-5-12-21-31-22-23-17-19-26(20-18-23)29(34)35-30-32-27(24-13-8-6-9-14-24)28(33-30)25-15-10-7-11-16-25/h6-11,13-20,31H,2-5,12,21-22H2,1H3,(H,32,33)